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Search results for: '2204290-85-5'
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2-isopropyl-5-methylcyclohexanamine
Cas Number: 21411-81-4Formula: C10H21NMolecular weight: 155.28Synonyms: NSC-243755 | 5-methyl-2-(propan-2-yl)cyclohexan-1-amine | 2-(Isopropyl)-5-methylcyclohexylamine | 5-...SMILES: CC1CCC(C(C1)N)C(C)CInChIKey: RBMUAGDCCJDQLE-UHFFFAOYSA-NInChI: InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3
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5-bromo-4-fluoro-1H-indazole
Cas Number: 1082041-85-7Formula: C7H4BrFN2Molecular weight: 215.02Synonyms: 5-bromo-4-fluoro-1H-indazole|1082041-85-7|5-Bromo-4-fluoro (1H)indazole|MFCD11007927|SCHEMBL767674|5...SMILES: C1=CC(=C(C2=C1NN=C2)F)BrInChIKey: YJOQUFUSNSCGHN-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
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Ethyl 2-(5-bromobenzofuran-3-yl)acetate
Cas Number: 200204-85-9Formula: C12H11BrO3Molecular weight: 283.1Synonyms: Ethyl 2-(5-bromobenzofuran-3-yl)acetate|200204-85-9|ethyl 2-(5-bromo-1-benzofuran-3-yl)acetate|MFCD0...SMILES: CCOC(=O)CC1=COC2=C1C=C(C=C2)BrInChIKey: NWCIURORZMAWNA-UHFFFAOYSA-NInChI: InChI=1S/C12H11BrO3/c1-2-15-12(14)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3
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4-Bromo-2-hydroxy-5-methylpyridine
Cas Number: 1227578-85-9Formula: C6H6BrNOMolecular weight: 188.02Synonyms: 4-Bromo-5-methylpyridin-2(1H)-one | 1227578-85-9 | 4-Bromo-2-hydroxy-5-methylpyridine | 4-bromo-5-me...SMILES: CC1=CNC(=O)C=C1BrInChIKey: UDZAXCAFAWNUAN-UHFFFAOYSA-NInChI: InChI=1S/C6H6BrNO/c1-4-3-8-6(9)2-5(4)7/h2-3H,1H3,(H,8,9)
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(1S)-1-(5-bromo-4-methyl-2-pyridyl)ethanol
Cas Number: 2411591-85-8Formula: C8H10NOBrMolecular weight: 216.07Synonyms: (1S)-1-(5-bromo-4-methyl-2-pyridyl)ethanol | SCHEMBL24666641 | D79322 | (S)-1-(5-Bromo-4-methylpyrid...SMILES: CC1=CC(=NC=C1Br)C(C)OInChIKey: VHFMHCAXAOVJPY-LURJTMIESA-NInChI: InChI=1S/C8H10BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4,6,11H,1-2H3/t6-/m0/s1
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2-(tert-Butyl)-5-nitro-1H-indole
Cas Number: 174274-85-2Formula: C12H14N2O2Molecular weight: 218.25Synonyms: 2-(tert-Butyl)-5-nitro-1H-indole|174274-85-2|2-tert-butyl-5-nitro-1H-indole|2-(tert-Butyl)-5-nitroin...SMILES: CC(C)(C)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]InChIKey: KWEGNNIENUBTCE-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O2/c1-12(2,3)11-7-8-6-9(14(15)16)4-5-10(8)13-11/h4-7,13H,1-3H3
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Methyl 5-aminobenzo[b]thiophene-2-carboxylate
Cas Number: 20699-85-8Formula: C10H9NO2SMolecular weight: 207.25Synonyms: 20699-85-8|Methyl 5-aminobenzo[b]thiophene-2-carboxylate|methyl 5-amino-1-benzothiophene-2-carboxyla...SMILES: COC(=O)C1=CC2=C(S1)C=CC(=C2)NInChIKey: SIMBULBEQVHFPK-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
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WAY-224289
Cas Number: 126651-85-2Formula: C8H6BrN3SMolecular weight: 256.13Synonyms: 126651-85-2|5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-Bromo-phenyl)-2,4-dihydro-...SMILES: C1=CC(=CC(=C1)Br)C2=NC(=S)NN2InChIKey: ALETZOQAGIEADS-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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2-Ethoxy-5-methoxyphenylboronic acid
Cas Number: 957065-85-9Formula: C9H13BO4Molecular weight: 196Synonyms: 2-ETHOXY-5-METHOXYPHENYLBORONIC ACID|957065-85-9|2-Ethoxy-5-methoxybenzeneboronic acid|(2-ethoxy-5-m...SMILES: B(C1=C(C=CC(=C1)OC)OCC)(O)OInChIKey: QZURUWKQPQTXPR-UHFFFAOYSA-NInChI: InChI=1S/C9H13BO4/c1-3-14-9-5-4-7(13-2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3
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5-bromo-2,3,3-trimethyl-pyrrolo[2,3-b]pyridine
Cas Number: 331777-85-6Formula: C10H11N2BrMolecular weight: 239.11Synonyms: 5-bromo-2,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridine | 331777-85-6 | 5-bromo-2,3,3-trimethylpyrrolo[2,3...SMILES: CC1=NC2=C(C1(C)C)C=C(C=N2)BrInChIKey: AHSNZIUQJNPBDY-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrN2/c1-6-10(2,3)8-4-7(11)5-12-9(8)13-6/h4-5H,1-3H3
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5-Fluoro-1-tetralone
Cas Number: 93742-85-9Formula: C10H9FOMolecular weight: 164.2Synonyms: 5-FLUORO-1-TETRALONE|93742-85-9|5-fluoro-3,4-dihydronaphthalen-1(2H)-one|5-Fluoro-3,4-dihydro-2H-nap...SMILES: C1CC2=C(C=CC=C2F)C(=O)C1InChIKey: ALVLPJZOYNSRRX-UHFFFAOYSA-NInChI: InChI=1S/C10H9FO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
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2-Fluoro-5-(trifluoromethoxy)benzoic acid
Cas Number: 886497-85-4Formula: C8H4F4O3Molecular weight: 224.11Synonyms: 2-Fluoro-5-(trifluoromethoxy)benzoic acid|886497-85-4|MFCD04115887|2-FLUORO-5-(TRIFLUOROMETHOXY)BENZ...SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)FInChIKey: CSMVUVGPLMTFIZ-UHFFFAOYSA-NInChI: InChI=1S/C8H4F4O3/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
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1-(3-Bromo-5-chlorophenyl)ethanone
Cas Number: 154257-85-9Formula: C8H6BrClOMolecular weight: 233.49Synonyms: 1-(3-Bromo-5-chlorophenyl)ethanone|154257-85-9|3'-BROMO-5'-CHLOROACETOPHENONE|1-(3-BROMO-5-CHLOROPHE...SMILES: CC(=O)C1=CC(=CC(=C1)Br)ClInChIKey: IEWFDTXICLHPTE-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
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3-Methyl-5-isoxazoleacetic acid
Cas Number: 19668-85-0Formula: C6H7NO3Molecular weight: 141.12Synonyms: 19668-85-0|2-(3-methylisoxazol-5-yl)acetic acid|3-Methyl-5-isoxazoleacetic acid|2-(3-methyl-1,2-oxaz...SMILES: CC1=NOC(=C1)CC(=O)OInChIKey: POEFJFLAFQWOTL-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
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5-bromo-4-chloro-2-methylpyridine
Cas Number: 1003711-85-0Formula: C6H5BrClNMolecular weight: 206.47Synonyms: 5-BROMO-4-CHLORO-2-METHYLPYRIDINE|1003711-85-0|5-Bromo-4-chloro-2-picoline|Pyridine, 5-bromo-4-chlor...SMILES: CC1=CC(=C(C=N1)Br)ClInChIKey: HQIJNBFVJKFOAS-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrClN/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3
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5-Chloropyridine-3-boronic acid
Cas Number: 872041-85-5Formula: C5H5BClNO2Molecular weight: 157.36Synonyms: 872041-85-5|5-Chloropyridine-3-boronic acid|(5-chloropyridin-3-yl)boronic acid|5-CHLORO-3-PYRIDINEBO...SMILES: B(C1=CC(=CN=C1)Cl)(O)OInChIKey: NJXYBTMCTZAUEE-UHFFFAOYSA-NInChI: InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
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tert-butyl 7-hydroxy-5-azaspiro[2.4]heptane-5-carboxylate
Cas Number: 1262407-85-1Formula: C11H19NO3Molecular weight: 213.27Synonyms: tert-butyl 7-hydroxy-5-azaspiro[2.4]heptane-5-carboxylate | 1262407-85-1 | SCHEMBL17499918 | MFCD183...SMILES: CC(C)(C)OC(=O)N1CC(C2(C1)CC2)OInChIKey: JIDGHBGXDMQQFD-UHFFFAOYSA-NInChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-8(13)11(7-12)4-5-11/h8,13H,4-7H2,1-3H3
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5-Bromo-4-methoxypyrimidine
Cas Number: 4319-85-1Formula: C5H5BrN2OMolecular weight: 189.01Synonyms: 5-Bromo-4-methoxypyrimidine|4319-85-1|MFCD00234066|5-Bromo-4-methoxy-pyrimidine|4,6-methoxy-5-bromop...SMILES: COC1=NC=NC=C1BrInChIKey: GGTJMKOJYGIIKR-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
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6-bromo-5-fluoro-1H-indazole
Cas Number: 1286734-85-7Formula: C7H4BrFN2Molecular weight: 215.02Synonyms: 6-Bromo-5-fluoro-1H-indazole|1286734-85-7|1h-indazole,6-bromo-5-fluoro-|1H-Indazole, 6-bromo-5-fluor...SMILES: C1=C2C=NNC2=CC(=C1F)BrInChIKey: PLGKUXUUBPDMAA-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrFN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11)
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2,5-Diiodo-4-methyl-1H-imidazole
Cas Number: 149510-85-0Formula: C4H4I2N2Molecular weight: 333.9Synonyms: 2,5-Diiodo-4-methyl-1H-imidazole|149510-85-0|2,5-Diiodo-4-methylimidazole|2,4-Diiodo-5-methyl-1H-imi...SMILES: CC1=C(N=C(N1)I)IInChIKey: GPBIXFAUPJOCRS-UHFFFAOYSA-NInChI: InChI=1S/C4H4I2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
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1-Bromo-3-fluoro-5-iodobenzene
Cas Number: 845866-85-5Formula: C6H3BrFIMolecular weight: 300.9Synonyms: 1-bromo-3-fluoro-5-iodobenzene|845866-85-5|3-fluoro-5-iodobromobenzene|3-fluoro-5-iodo bromobenzene|...SMILES: C1=C(C=C(C=C1Br)I)FInChIKey: OQUKJSVQMVBUBY-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrFI/c7-4-1-5(8)3-6(9)2-4/h1-3H
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Exifone
Cas Number: 52479-85-3Formula: C13H10O7Molecular weight: 278.22Synonyms: EXIFONE|52479-85-3|2,3,3',4,4',5'-Hexahydroxybenzophenone|Adlone|(2,3,4-Trihydroxyphenyl)(3,4,5-trih...SMILES: C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OInChIKey: XEDWWPGWIXPVRQ-UHFFFAOYSA-NInChI: InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
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Ticlopidine, Inhibitor of CYP2B6
Cas Number: 55142-85-3Formula: C14H14ClNSMolecular weight: 263.78Synonyms: ticlopidine|55142-85-3|5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine|Ticlopidina|Ticlop...SMILES: C1CN(CC2=C1SC=C2)CC3=CC=CC=C3ClInChIKey: PHWBOXQYWZNQIN-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
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ethyl 3-bromo-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Cas Number: 1132610-85-5Formula: C11H11BrN2O2Molecular weight: 283.12Synonyms: MFCD17214398 | AS-51225 | DTXSID801179678 | SCHEMBL14802285 | 1132610-85-5 | 3-BROMO-5-METHYL-4-AZAI...SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=N2)C)BrInChIKey: ZYDCUBBZDREOAG-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-8(12)9-7(14-10)5-4-6(2)13-9/h4-5,14H,3H2,1-2H3
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